Inheritance diagram for votca::csg::PotentialFunctionLJ126:

Collaboration diagram for votca::csg::PotentialFunctionLJ126:

[legend]

Public Member Functions
	PotentialFunctionLJ126 (const std::string &name, double min=0.0, double max=10.0)

	~PotentialFunctionLJ126 () override=default

double	CalculateF (double r) const override

double	CalculateDF (Index i, double r) const override

double	CalculateD2F (Index i, Index j, double r) const override

Public Member Functions inherited from votca::csg::PotentialFunction
virtual	~PotentialFunction ()=default

virtual void	setParam (std::string filename)

virtual void	SaveParam (const std::string &filename)

virtual void	SavePotTab (const std::string &filename, double step)

virtual void	SavePotTab (const std::string &filename, double step, double rmin, double rcut)

void	setParam (const Eigen::VectorXd &param)

void	setParam (Index i, double val)

virtual void	setOptParam (Index i, double val)

void	setMinDist (double min)

void	setCutOffDist (double cutoff)

Eigen::VectorXd &	Params ()

double	getParam (Index i) const

virtual double	getOptParam (Index i) const

Index	getParamSize () const

virtual Index	getOptParamSize () const

double	getCutOff () const

double	getMinDist () const

Additional Inherited Members
Protected Member Functions inherited from votca::csg::PotentialFunction
	PotentialFunction (const std::string &name, Index nlam, double min, double max)

Protected Attributes inherited from votca::csg::PotentialFunction
std::string	name_

Eigen::VectorXd	lam_

double	cut_off_

double	min_

Detailed Description

Definition at line 29 of file potentialfunctionlj126.h.

Constructor & Destructor Documentation

votca::csg::PotentialFunctionLJ126::PotentialFunctionLJ126	(	const std::string &	name,
		double	min = 0.0,
		double	max = 10.0 )

Definition at line 22 of file potentialfunctionlj126.cc.

votca::csg::PotentialFunctionLJ126::~PotentialFunctionLJ126 ( )

overridedefault

double votca::csg::PotentialFunctionLJ126::CalculateD2F	(	Index	i,
		Index	j,
		double	r ) const

overridevirtual

Definition at line 51 of file potentialfunctionlj126.cc.

double votca::csg::PotentialFunctionLJ126::CalculateDF	(	Index	i,
		double	r ) const

overridevirtual

Definition at line 36 of file potentialfunctionlj126.cc.

double votca::csg::PotentialFunctionLJ126::CalculateF ( double r ) const

overridevirtual

Definition at line 26 of file potentialfunctionlj126.cc.

The documentation for this class was generated from the following files: